Bicarbonate Ion → 7-Chloro-3-(4-chlorophenyl)-2-(2-chlorophenyl)-5,6-dimethylpyrazolo[1,5-a]pyrimidine

HRID 1574563Notes

Reaction equation

HRID 1574563 reaction equation
[C:41](=[O:42])([OH:43])[O-:44].[CH3:46][c:47]1[cH:48][cH:49][cH:50][cH:51][cH:52]1.[CH3:53][CH2:54][O:55][C:56](=[O:57])[CH3:58].[CH:27]([N:28]([CH:29]([CH3:30])[CH3:31])[CH2:32][CH3:33])([CH3:34])[CH3:35].[Cl:1][c:2]1[cH:3][cH:4][c:5](-[c:8]2[c:9](-[c:20]3[c:21]([Cl:26])[cH:22][cH:23][cH:24][cH:25]3)[n:10][n:11]3[c:12]2[n:13][c:14]([CH3:19])[c:15]([CH3:18])[c:16]3[OH:17])[cH:6][cH:7]1.[Na+:45].[P:36]([Cl:37])([Cl:38])([Cl:39])=[O:40]>>[Cl:1][c:2]1[cH:3][cH:4][c:5](-[c:8]2[c:9](-[c:20]3[c:21]([Cl:26])[cH:22][cH:23][cH:24][cH:25]3)[n:10][n:11]3[c:12]2[n:13][c:14]([CH3:19])[c:15]([CH3:18])[c:16]3[Cl:38])[cH:6][cH:7]1

Participants

8

Reactant 7

HCID 769Bicarbonate IonHCID 923Sodium ionHCID 1140TolueneHCID 8857Ethyl AcetateHCID 24813Phosphorus oxychlorideHCID 81531DiisopropylethylamineHCID 178432046HCID 178432046, compound

Product 1

HCID 210837207-Chloro-3-(4-chlorophenyl)-2-(2-chlorophenyl)-5,6-dimethylpyrazolo[1,5-a]pyrimidine

Sources & evidence

ORD record
ord-1bbce961d20346f38c9f5331ccf12deb
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

Loading…